CID 3057018

73931-97-2

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1=C(C(=C(C(=C1C)C)C(CN2C=CN=C2)O)C)C
InChI
InChI=1S/C16H22N2O/c1-10-11(2)13(4)16(14(5)12(10)3)15(19)8-18-7-6-17-9-18/h6-7,9,15,19H,8H2,1-5H3
InChIKey
FHWSSJUYUPONQH-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 162.0
[M+Na]+ 281.16244 171.6
[M-H]- 257.16594 165.8
[M+NH4]+ 276.20704 178.4
[M+K]+ 297.13638 167.3
[M+H-H2O]+ 241.17048 154.5
[M+HCOO]- 303.17142 181.6
[M+CH3COO]- 317.18707 199.4
[M+Na-2H]- 279.14789 161.3
[M]+ 258.17267 164.6
[M]- 258.17377 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe